ethyl 2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3-chloro-4-fluoro-anilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-(3-chloro-4-fluoroanilino)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-chloro-4-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-(3-chloro-4-fluoro-anilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C14H10ClF4N3O2 MolecularWeight: 363.694713

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C(F)(F)F)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C(F)(F)F)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C14H10ClF4N3O2/c1-2-24-12(23)8-6-20-13(22-11(8)14(17,18)19)21-7-3-4-10(16)9(15)5-7/h3-6H,2H2,1H3,(H,20,21,22)